1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine

C17H23N3O — CID 103790195

IUPAC1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(NCc2cnn(C)c2C)C2CC2)cc1
InChIInChI=1S/C17H23N3O/c1-12-15(11-19-20(12)2)10-18-17(13-4-5-13)14-6-8-16(21-3)9-7-14/h6-9,11,13,17-18H,4-5,10H2,1-3H3
InChIKeyJIQYILUTYIWSDB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.98
Rot. Bonds6

About 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine

1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 103790195) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID103790195
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(NCc2cnn(C)c2C)C2CC2)cc1
InChIInChI=1S/C17H23N3O/c1-12-15(11-19-20(12)2)10-18-17(13-4-5-13)14-6-8-16(21-3)9-7-14/h6-9,11,13,17-18H,4-5,10H2,1-3H3
InChIKeyJIQYILUTYIWSDB-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698985
(1S)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 52532790
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103910978
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115896751
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027112
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 60857089
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine (CID 103790195) is 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(C(NCc2cnn(C)c2C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is JIQYILUTYIWSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-15(11-19-20(12)2)10-18-17(13-4-5-13)14-6-8-16(21-3)9-7-14/h6-9,11,13,17-18H,4-5,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine?
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 103790195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).